2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea

C9H17N5O — CID 83109596

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea
SMILESCc1n[nH]c(C)c1CNCCNC(N)=O
InChIInChI=1S/C9H17N5O/c1-6-8(7(2)14-13-6)5-11-3-4-12-9(10)15/h11H,3-5H2,1-2H3,(H,13,14)(H3,10,12,15)
InChIKeyZIHUEHWIMSPKPD-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.22
Rot. Bonds5

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea (PubChem CID 83109596) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea
PubChem CID83109596
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea
SMILESCc1n[nH]c(C)c1CNCCNC(N)=O
InChIInChI=1S/C9H17N5O/c1-6-8(7(2)14-13-6)5-11-3-4-12-9(10)15/h11H,3-5H2,1-2H3,(H,13,14)(H3,10,12,15)
InChIKeyZIHUEHWIMSPKPD-UHFFFAOYSA-N
XLogP-0.22
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43644720
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 110460201
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 60780721
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-3-ol
CID 115654700
N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
CID 112732619
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N-prop-2-enylacetamide
CID 115919834
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 86808956
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43644728

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea (CID 83109596) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea is Cc1n[nH]c(C)c1CNCCNC(N)=O.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea?
The InChIKey is ZIHUEHWIMSPKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6-8(7(2)14-13-6)5-11-3-4-12-9(10)15/h11H,3-5H2,1-2H3,(H,13,14)(H3,10,12,15).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea has a molecular weight of 211.27 g/mol, XLogP of -0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea is sourced from PubChem (CID 83109596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).